2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide

C15H23BrN2O — CID 81376331

IUPAC2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-10(2)7-13(9-17)15(19)18-11(3)12-5-4-6-14(16)8-12/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyURUJTHHTETUNLW-JTDNENJMSA-N
MW327.27 g/mol
LogP3.25
Rot. Bonds6

About 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide

2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide (PubChem CID 81376331) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide
PubChem CID81376331
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-10(2)7-13(9-17)15(19)18-11(3)12-5-4-6-14(16)8-12/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyURUJTHHTETUNLW-JTDNENJMSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
CID 104683795
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide (CID 81376331) is 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide is CC(C)CC(CN)C(=O)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide?
The InChIKey is URUJTHHTETUNLW-JTDNENJMSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(2)7-13(9-17)15(19)18-11(3)12-5-4-6-14(16)8-12/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,18,19)/t11-,13?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide?
2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide has a molecular weight of 327.27 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81376331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).